[(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-(3-methylbutanoyloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
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[(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-(3-methylbutanoyloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
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CAS No:
114687-82-0
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Formula:
C20H32O6
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Chemical Name:
[(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-(3-methylbutanoyloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
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Synonyms:
nardostachin;Nardostachin;114687-82-0;DTXSID80150830;[(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-(3-methylbutanoyloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate;Butanoic acid, 3-methyl-, (1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta(c)pyran-4-yl)methyl ester, (1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-
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CAS No:
[(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-(3-methylbutanoyloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate Basic Attributes
368.5 g/mol
368.21988874 g/mol
DTXSID80150830
Computed Properties
Molecular Weight:368.5
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:368.21988874
Monoisotopic Mass:368.21988874
Topological Polar Surface Area:82.1
Heavy Atom Count:26
Complexity:538
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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